(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone

C11H6BrCl2NOS — CID 102837630

IUPAC(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
SMILESNc1cc(Cl)cc(C(=O)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C11H6BrCl2NOS/c12-8-4-9(17-11(8)14)10(16)5-1-6(13)3-7(15)2-5/h1-4H,15H2
InChIKeyLLRRRGVNKPNDRY-UHFFFAOYSA-N
MW351.05 g/mol
LogP4.63
Rot. Bonds2

About (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone

(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone (PubChem CID 102837630) has the molecular formula C11H6BrCl2NOS and a molecular weight of 351.05 g/mol. Its IUPAC name is (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
PubChem CID102837630
Molecular FormulaC11H6BrCl2NOS
Molecular Weight351.05 g/mol
Exact Mass348.87
IUPAC Name(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
SMILESNc1cc(Cl)cc(C(=O)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C11H6BrCl2NOS/c12-8-4-9(17-11(8)14)10(16)5-1-6(13)3-7(15)2-5/h1-4H,15H2
InChIKeyLLRRRGVNKPNDRY-UHFFFAOYSA-N
XLogP4.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.05
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837635
(3-amino-5-methylsulfonylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837649
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone
CID 102826843
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(2-amino-6-methylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837614
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
CID 102826777
(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
CID 112745672
(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396702
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
tert-butyl 4-bromo-5-chlorothiophene-2-carboxylate
CID 119081516

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone (CID 102837630) is (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone is Nc1cc(Cl)cc(C(=O)c2cc(Br)c(Cl)s2)c1.
What is the InChIKey of (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
The InChIKey is LLRRRGVNKPNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NOS/c12-8-4-9(17-11(8)14)10(16)5-1-6(13)3-7(15)2-5/h1-4H,15H2.
What are the key properties of (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone has a molecular weight of 351.05 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 102837630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).